| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4754174
Max Phase: Preclinical
Molecular Formula: C24H27N3O4S
Molecular Weight: 453.56
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc2c(S(=O)(=O)NC(C)(C)C)cccc12
Standard InChI: InChI=1S/C24H27N3O4S/c1-16(25-23(29)17-10-6-5-7-11-17)22(28)26-20-14-8-13-19-18(20)12-9-15-21(19)32(30,31)27-24(2,3)4/h5-16,27H,1-4H3,(H,25,29)(H,26,28)/t16-/m0/s1
Standard InChI Key: CIOMPTVWAHHOCL-INIZCTEOSA-N
Associated Targets(Human)
Ubiquitin carboxyl-terminal hydrolase 30 944 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 453.56 | Molecular Weight (Monoisotopic): 453.1722 | AlogP: 3.67 | #Rotatable Bonds: 6 |
| Polar Surface Area: 104.37 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.88 | CX Basic pKa: | CX LogP: 3.40 | CX LogD: 3.40 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.53 | Np Likeness Score: -1.36 |
References
| 1. Kluge AF,Lagu BR,Maiti P,Jaleel M,Webb M,Malhotra J,Mallat A,Srinivas PA,Thompson JE. (2018) Novel highly selective inhibitors of ubiquitin specific protease 30 (USP30) accelerate mitophagy., 28 (15): [PMID:29935771] [10.1016/j.bmcl.2018.05.013] |
Source
Source(1):